From: Scaffold Hunter: a comprehensive visual analytics framework for drug discovery
Technique | DataWarrior | CheS-Mapper | Scaffold Hunter |
---|---|---|---|
Plot | Yes | – | Yes |
Dim. reduction | PCA, 2D-RBSa, SOM | PCA, MDS | MDS |
Spreadsheet | Yes | – | Yes |
Clustering | Hierarchical | WEKA/R methods | Hierarchical |
Special features | 2D-RBSa | 3D space, web application | Scaffold concept, collaborative features, fast heuristic clustering [29] |